2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl-triphenyl-phosphonium bromide Formula: C28H22BrN2O4P MolecularWeight: 561.363041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H22N2O4P.BrH/c31-27-24-17-10-18-25(30(33)34)26(24)28(32)29(27)19-20-35(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;/h1-18H,19-20H2;1H/q+1;/p-1